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ethyl 2-[1-benzyl-4-(nitromethyl)piperidin-4-yl]acetate

ethyl 2-[1-benzyl-4-(nitromethyl)piperidin-4-yl]acetate

CAS: 154495-66-6

Formula: C17H24N2O4

SMILES: CCOC(=O)CC1(C[N+]([O-])=O)CCN(CC2=CC=CC=C2)CC1

IUPAC: ethyl 2-[1-benzyl-4-(nitromethyl)piperidin-4-yl]acetate

InChI: InChI=1S/C17H24N2O4/c1-2-23-16(20)12-17(14-19(21)22)8-10-18(11-9-17)13-15-6-4-3-5-7-15/h3-7H,2,8-14H2,1H3

Composition: C (63.73%), H (7.55%), N (8.74%), O (19.97%)

Molar Mass: 320.389

Atom Count: 47

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 320.173607261
Formal Charge 0
FSP3 0.59
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey HQJUZODKTPHDAG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 86.65
Topological Polar Surface Area 72.68
Polarizability 34.06
Ring Count 2
Rotatable Bond Count 8

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